4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid

C15H19FN2O6 — CID 153388265

IUPAC4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid
SMILESCOC(=O)c1cc(OC2CCN(C(=O)O)CC2)c(OCF)cc1N
InChIInChI=1S/C15H19FN2O6/c1-22-14(19)10-6-13(12(23-8-16)7-11(10)17)24-9-2-4-18(5-3-9)15(20)21/h6-7,9H,2-5,8,17H2,1H3,(H,20,21)
InChIKeyOTZACQWDPPHVEG-UHFFFAOYSA-N
MW342.32 g/mol
LogP1.88
Rot. Bonds5

About 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid

4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid (PubChem CID 153388265) has the molecular formula C15H19FN2O6 and a molecular weight of 342.32 g/mol. Its IUPAC name is 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid
PubChem CID153388265
Molecular FormulaC15H19FN2O6
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid
SMILESCOC(=O)c1cc(OC2CCN(C(=O)O)CC2)c(OCF)cc1N
InChIInChI=1S/C15H19FN2O6/c1-22-14(19)10-6-13(12(23-8-16)7-11(10)17)24-9-2-4-18(5-3-9)15(20)21/h6-7,9H,2-5,8,17H2,1H3,(H,20,21)
InChIKeyOTZACQWDPPHVEG-UHFFFAOYSA-N
XLogP1.88
TPSA111.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid (CID 153388265) is 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid is COC(=O)c1cc(OC2CCN(C(=O)O)CC2)c(OCF)cc1N.
What is the InChIKey of 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid?
The InChIKey is OTZACQWDPPHVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O6/c1-22-14(19)10-6-13(12(23-8-16)7-11(10)17)24-9-2-4-18(5-3-9)15(20)21/h6-7,9H,2-5,8,17H2,1H3,(H,20,21).
What are the key properties of 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid?
4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid has a molecular weight of 342.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-(fluoromethoxy)-5-methoxycarbonylphenoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 153388265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).